1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-methoxyanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-methoxyanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-cyclopentyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-keto-2-(o-anisidino)ethyl]-piperonyl-ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[NH+](CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H26N2O4/c1-26-19-9-5-4-8-18(19)23-22(25)14-24(17-6-2-3-7-17)13-16-10-11-20-21(12-16)28-15-27-20/h4-5,8-12,17H,2-3,6-7,13-15H2,1H3,(H,23,25)/p+1